4-Methoxy-7h-pyrrolo[2,3-d]pyrimidine
Basic information
- CAS
4786-76-9- Standard SMILES
COc1ncnc2[nH]ccc12- InChIKey
QGJOWBMQGBHKRM-UHFFFAOYSA-N- Molecular formula
- C7H7N3O
- Average molar mass
- 149.15 g/mol
- Monoisotopic mass
- 149.05891184
Names & identifiers
- Preferred name
- 4-Methoxy-7h-pyrrolo[2,3-d]pyrimidine
- IUPAC
- 4-methoxy-7H-pyrrolo[2,3-d]pyrimidine
- English name
- 1H-Pyrrolo[2,3-d]pyrimidine, 4-methoxy- (8CI,9CI)
- Molecular formula
- C7H7N3O
- Molecular weight
- 149.15
Names & synonyms
4-methoxy-7h-pyrrolo[2,3-d]pyrimidine4786-76-9MFCD00127852NSC66244NSC-662441H-Pyrrolo[2,3-d]pyrimidine, 4-methoxy- (8CI,9CI)SCHEMBL1085687AKOS005259324PB12093SY2702414-Methoxy-7H-pyrrolo[-2,3-d]pyrimidine4-methoxy-7H-pyrrolo[2, 3-d]pyrimidine
Show more names
7H-Pyrrolo[2,3-d]pyrimidine, 4-methoxy-
CS-00548874-Methoxy-7H-pyrrolo-[2,3-d]-pyrimidine7H-Pyrrolo[2,3-d]pyrimidine,4-methoxy-SZ8QYW7DVYNCIOpen2_0000286-O-Methyl-7-deazahypoxanthine4-methoxy-7h-pyrrolo[2,3-d]DTXSID70290052
Database identifiers
- CAS
4786-76-9- PubChem CID
- 248792
- DTXSID
DTXSID70290052- UNII
- SZ8QYW7DVY
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 50.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 142
Physicochemical properties
- Boiling point
- 325.3 · 325.3±52.0 °C(Predicted)
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 12.35 · 12.35±0.20(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H317
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H317
- Precautionary statements
- P280-P305+P351+P338
Related reactions
18 records
Compound notes
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